[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone

C19H23ClN4O — CID 23725698

IUPAC[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
InChIInChI=1S/C19H23ClN4O/c1-3-16-6-4-5-9-24(16)19(25)14-10-17(20)18(22-11-14)23-15-8-7-13(2)21-12-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,22,23)
InChIKeyQABUURICQJOWID-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.59
Rot. Bonds4

About [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone

[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 23725698) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID23725698
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
InChIInChI=1S/C19H23ClN4O/c1-3-16-6-4-5-9-24(16)19(25)14-10-17(20)18(22-11-14)23-15-8-7-13(2)21-12-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,22,23)
InChIKeyQABUURICQJOWID-UHFFFAOYSA-N
XLogP4.59
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone (CID 23725698) is [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1.
What is the InChIKey of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is QABUURICQJOWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-3-16-6-4-5-9-24(16)19(25)14-10-17(20)18(22-11-14)23-15-8-7-13(2)21-12-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,22,23).
What are the key properties of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 358.87 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 23725698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).